SCHEMBL8248668

SCHEMBL8248668

CN1C(=N)N[C@](C)(c2cc(Br)cs2)C/C1=C/C(N)=O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.31
KMT2A Q03164 1/20 0.31
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7547537 0.78 BACE1 (0.33) BACE1HCAR3HCAR2
SCHEMBL13759871 0.72 HCAR3 (0.34) BACE1HCAR3HCAR2
SCHEMBL7540004 0.68 BACE1 (0.35) BACE1
SCHEMBL8246380 0.68 BACE1 (0.31) BACE1HCAR3HCAR2
SCHEMBL8245196 0.68 BACE1 (0.36) BACE1
SCHEMBL7543400 0.67 BACE1 (0.32) BACE1HCAR3HCAR2
SCHEMBL12172348 0.66 BACE1 (0.33) BACE1HCAR3HCAR2
SCHEMBL8246383 0.66 BACE1 (0.34) BACE1
SCHEMBL7599897 0.65 BACE1 (0.43) BACE1KMT2A
SCHEMBL7600011 0.65 BACE1 (0.42) BACE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006138265-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS, PREPARATION AND USE THEREOF SCHERING CORPORATION (US) 2006-12-28 WO disclosed